COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.266  -0.794  -0.674  1.00  0.00           C  
HETATM    2  C   UNL     1       3.635  -0.178   0.548  1.00  0.00           C  
HETATM    3  C   UNL     1       3.096   1.211   0.198  1.00  0.00           C  
HETATM    4  C   UNL     1       2.455   1.837   1.438  1.00  0.00           C  
HETATM    5  C   UNL     1       1.305   0.950   1.921  1.00  0.00           C  
HETATM    6  C   UNL     1       1.844  -0.438   2.271  1.00  0.00           C  
HETATM    7  C   UNL     1       1.453  -1.187  -0.061  1.00  0.00           C  
HETATM    8  O   UNL     1       1.617  -0.615  -1.118  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.125  -2.041   2.064  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.046  -1.916  -0.291  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.126  -1.775  -1.151  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.407  -1.656  -0.653  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.615  -1.677   0.714  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.542  -1.812   1.569  1.00  0.00           C  
HETATM   15  C   UNL     1       0.376   1.246  -0.918  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.324   2.468  -0.378  1.00  0.00           C  
HETATM   17  C   UNL     1       0.127   3.645   0.175  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.780   4.606   0.589  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.139   4.387   0.448  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.601   3.211  -0.105  1.00  0.00           C  
HETATM   21  O   UNL     1       5.360  -0.238  -1.217  1.00  0.00           O  
HETATM   22  O   UNL     1       3.790  -1.792  -1.162  1.00  0.00           O  
HETATM   23  C   UNL     1       2.485  -1.064   1.031  1.00  0.00           C  
HETATM   24  N   UNL     1       0.347  -1.931   0.138  1.00  0.00           N  
HETATM   25  C   UNL     1       0.119  -2.639   1.409  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.250  -1.926   1.070  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.675  -2.069  -0.903  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.469  -0.988  -1.966  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.681   0.332  -1.368  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.693   2.237  -0.525  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.875   0.906  -1.140  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.949   0.403  -1.403  1.00  0.00           O  
HETATM   33  H   UNL     1       4.381  -0.089   1.337  1.00  0.00           H  
HETATM   34  H   UNL     1       3.915   1.842  -0.146  1.00  0.00           H  
HETATM   35  H   UNL     1       2.349   1.122  -0.591  1.00  0.00           H  
HETATM   36  H   UNL     1       3.202   1.925   2.227  1.00  0.00           H  
HETATM   37  H   UNL     1       2.071   2.826   1.189  1.00  0.00           H  
HETATM   38  H   UNL     1       0.849   1.396   2.805  1.00  0.00           H  
HETATM   39  H   UNL     1       0.559   0.862   1.132  1.00  0.00           H  
HETATM   40  H   UNL     1       2.591  -0.350   3.060  1.00  0.00           H  
HETATM   41  H   UNL     1       1.026  -1.070   2.615  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.439  -2.682   2.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.885  -1.051   2.451  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.963  -1.758  -2.219  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.244  -1.546  -1.327  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.616  -1.588   1.111  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.707  -1.828   2.637  1.00  0.00           H  
HETATM   48  H   UNL     1       1.016   1.520  -1.756  1.00  0.00           H  
HETATM   49  H   UNL     1       0.968   0.776  -0.133  1.00  0.00           H  
HETATM   50  H   UNL     1       1.187   3.819   0.286  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.425   5.530   1.023  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.841   5.141   0.774  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.663   3.044  -0.212  1.00  0.00           H  
HETATM   54  H   UNL     1       5.775  -0.712  -1.951  1.00  0.00           H  
HETATM   55  H   UNL     1       2.869  -2.053   1.280  1.00  0.00           H  
HETATM   56  H   UNL     1       0.981  -2.507   2.064  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.039  -3.700   1.217  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.592  -3.052  -1.365  1.00  0.00           H  
HETATM   59  H   UNL     1       0.547  -1.052  -2.356  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.180  -1.137  -2.778  1.00  0.00           H  
CONECT    1    2   22   22   21                                       
CONECT    2   23    3    1   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5    6    4   38   39                                       
CONECT    6    5   23   40   41                                       
CONECT    7   24    8    8   23                                       
CONECT    8    7    7                                                 
CONECT    9   25   26   42   43                                       
CONECT   10   11   27   26   26                                       
CONECT   11   12   12   10   44                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   26   47                                       
CONECT   15   16   29   48   49                                       
CONECT   16   30   30   17   15                                       
CONECT   17   18   18   16   50                                       
CONECT   18   19   17   17   51                                       
CONECT   19   20   20   18   52                                       
CONECT   20   19   19   30   53                                       
CONECT   21    1   54                                                 
CONECT   22    1    1                                                 
CONECT   23    6    7    2   55                                       
CONECT   24   27   25    7                                            
CONECT   25   24    9   56   57                                       
CONECT   26   10   10   14    9                                       
CONECT   27   28   10   24   58                                       
CONECT   28   29   27   59   60                                       
CONECT   29   31   15   28                                            
CONECT   30   20   31   16   16                                       
CONECT   31   32   32   30   29                                       
CONECT   32   31   31                                                 
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
